6I6J

Crystal structure of the KDEL receptor bound to synthetic nanobody.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.968
Spacegroup name	P 21 21 21
Unit cell lengths	50.400, 52.976, 133.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.132 - 2.230
R-factor	0.213
Rwork	0.211
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m13
Data reduction software	DIALS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.970	52.970	2.290
High resolution limit [Å]	2.230	9.970	2.230
Rmerge	0.122	0.071	1.247
Rmeas	0.134	0.088	1.360
Rpim	0.055	0.050	0.536
Number of reflections	18081	256	1317
<I/σ(I)>	7
Completeness [%]	100.0	99.5	100
Redundancy	6.2	4.8	6.3
CC(1/2)	0.869	0.665	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	9	293	30% (v/v) PEG 400, 100 mM Tris pH 9.0